2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide

C13H16F4N2O2S — CID 119966041

IUPAC2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O2S/c1-19(10-4-6-18-7-5-10)22(20,21)12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3
InChIKeyZOPXPRBOWINDEB-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.22
Rot. Bonds3

About 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide

2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 119966041) has the molecular formula C13H16F4N2O2S and a molecular weight of 340.34 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide
PubChem CID119966041
Molecular FormulaC13H16F4N2O2S
Molecular Weight340.34 g/mol
Exact Mass340.09
IUPAC Name2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C13H16F4N2O2S/c1-19(10-4-6-18-7-5-10)22(20,21)12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3
InChIKeyZOPXPRBOWINDEB-UHFFFAOYSA-N
XLogP2.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119965607
2-fluoro-N,5-dimethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63298118
4-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606895
3-fluoro-N,2-dimethyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119965604
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
2,3,4-trifluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55172954
N-ethyl-2,5-difluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806262
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
2,5-difluoro-N-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60545461
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
2-fluoro-N-methyl-N-[(3R)-pyrrolidin-3-yl]-5-(trifluoromethyl)benzamide
CID 124517058

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide (CID 119966041) is 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide is CN(C1CCNCC1)S(=O)(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZOPXPRBOWINDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O2S/c1-19(10-4-6-18-7-5-10)22(20,21)12-8-9(13(15,16)17)2-3-11(12)14/h2-3,8,10,18H,4-7H2,1H3.
What are the key properties of 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide?
2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 340.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119966041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).